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#2;OTOGIRININ-B;11-BENZOYL-14-[(E)-3,7-DIMETHYL-2,6-OCTADIENYL]-3-(1-HYDROXY-1-METHYLETHYL)-6,6,10,10-TETRAMETHYL-4,5-DIOXATETRACYCLO-[7,3,3,1(11,14),0(1,7)]-H

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#2;OTOGIRININ-B;11-BENZOYL-14-[(E)-3,7-DIMETHYL-2,6-OCTADIENYL]-3-(1-HYDROXY-1-METHYLETHYL)-6,6,10,10-TETRAMETHYL-4,5-DIOXATETRACYCLO-[7,3,3,1(11,14),0(1,7)]-H
SpectraBase Compound ID GkuUe2CdgJP
InChI InChI=1S/C38H50O7/c1-23(2)14-13-15-24(3)18-19-36-21-26-20-27-35(8,9)45-44-28(34(6,7)43)22-37(27,30(36)40)32(42)38(31(36)41,33(26,4)5)29(39)25-16-11-10-12-17-25/h10-12,14,16-18,26-28,43H,13,15,19-22H2,1-9H3/b24-18+/t26-,27+,28-,36-,37+,38-/m1/s1
InChIKey DCSFMYBSUBGTPD-MAPBXHLZSA-N
Mol Weight 618.8 g/mol
Molecular Formula C38H50O7
Exact Mass 618.355654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GBcIP3Yz3pq
Name #2;OTOGIRININ-B;11-BENZOYL-14-[(E)-3,7-DIMETHYL-2,6-OCTADIENYL]-3-(1-HYDROXY-1-METHYLETHYL)-6,6,10,10-TETRAMETHYL-4,5-DIOXATETRACYCLO-[7,3,3,1(11,14),0(1,7)]-H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H50O7
InChI InChI=1S/C38H50O7/c1-23(2)14-13-15-24(3)18-19-36-21-26-20-27-35(8,9)45-44-28(34(6,7)43)22-37(27,30(36)40)32(42)38(31(36)41,33(26,4)5)29(39)25-16-11-10-12-17-25/h10-12,14,16-18,26-28,43H,13,15,19-22H2,1-9H3/b24-18+/t26-,27+,28-,36-,37+,38-/m1/s1
InChIKey DCSFMYBSUBGTPD-MAPBXHLZSA-N
Literature Reference Author Y.ISHIDA,O.SHIROTA,S.SEKITA,K.SOMEYA,F.TOKITA,T.NAKANE,M.KUR OYANAGI
Literature Reference Citation CHEM.PHARM.BULL.,58,336(2010)
Literature Reference DOI 10.1248/cpb.58.336
Molecular Weight 618.811 g/mol
Sample ID 3431
Solvent CDCl3